Density functional benchmark for quadruple hydrogen bonds

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Number of pages13
ISSN1463-9076
DOIs
Publication statusPublished - 3 Apr 2025
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Generalized gradient approximation
  • Main-group thermochemistry
  • Correlation-energy
  • Noncovalent interactions
  • Adjustable-parameters
  • Improved accuracy
  • Broad accuracy
  • Hartree-fock
  • Basis-sets
  • Exchange
  • 116 Chemical sciences

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